Geometry & MOs

Info

ID:

375721

PubChem CID:

134220939

Reduced:

SN2C21H22 (1)

Stoich.:

AB2C21D22 (1)

Weight, g/mol:

457.13625

ΔHf, kcal/mol:

99.36

Dipole, Da:

4.74

IP(EA), eV:

 -8.39(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl (2S)-2-[[(2R,4aR,6R,7S,7aS)-6-(2-amino-6-methoxypurin-9-yl)-7-methyl-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]propanoate

Drug info:

PubChemData

Smile

C1CC2(CCC1N3C2=NSCC3)C4=CC=C(C=C4)C5=CC=CC=C5

DOS

IR

Vibrations